2-thiophen-2-ylpyrano[3,2-b]pyridin-4-one

C12H7NO2S — CID 3073328

IUPAC2-thiophen-2-ylpyrano[3,2-b]pyridin-4-one
SMILESO=c1cc(-c2cccs2)oc2cccnc12
InChIInChI=1S/C12H7NO2S/c14-8-7-10(11-4-2-6-16-11)15-9-3-1-5-13-12(8)9/h1-7H
InChIKeyRYLUYQXCNJPQFD-UHFFFAOYSA-N
MW229.26 g/mol
LogP2.92
Rot. Bonds1

About 2-thiophen-2-ylpyrano[3,2-b]pyridin-4-one

2-thiophen-2-ylpyrano[3,2-b]pyridin-4-one (PubChem CID 3073328) has the molecular formula C12H7NO2S and a molecular weight of 229.26 g/mol. Its IUPAC name is 2-thiophen-2-ylpyrano[3,2-b]pyridin-4-one.

Molecular Properties

Compound Name2-thiophen-2-ylpyrano[3,2-b]pyridin-4-one
PubChem CID3073328
Molecular FormulaC12H7NO2S
Molecular Weight229.26 g/mol
Exact Mass229.02
IUPAC Name2-thiophen-2-ylpyrano[3,2-b]pyridin-4-one
SMILESO=c1cc(-c2cccs2)oc2cccnc12
InChIInChI=1S/C12H7NO2S/c14-8-7-10(11-4-2-6-16-11)15-9-3-1-5-13-12(8)9/h1-7H
InChIKeyRYLUYQXCNJPQFD-UHFFFAOYSA-N
XLogP2.92
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-ylpyrano[3,2-b]pyridin-4-one?
The IUPAC name of 2-thiophen-2-ylpyrano[3,2-b]pyridin-4-one (CID 3073328) is 2-thiophen-2-ylpyrano[3,2-b]pyridin-4-one.
What is the SMILES notation for 2-thiophen-2-ylpyrano[3,2-b]pyridin-4-one?
The canonical SMILES for 2-thiophen-2-ylpyrano[3,2-b]pyridin-4-one is O=c1cc(-c2cccs2)oc2cccnc12.
What is the InChIKey of 2-thiophen-2-ylpyrano[3,2-b]pyridin-4-one?
The InChIKey is RYLUYQXCNJPQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7NO2S/c14-8-7-10(11-4-2-6-16-11)15-9-3-1-5-13-12(8)9/h1-7H.
What are the key properties of 2-thiophen-2-ylpyrano[3,2-b]pyridin-4-one?
2-thiophen-2-ylpyrano[3,2-b]pyridin-4-one has a molecular weight of 229.26 g/mol, XLogP of 2.92, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-ylpyrano[3,2-b]pyridin-4-one is sourced from PubChem (CID 3073328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).